2-chloranyl-N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-4-fluoranyl-benzamide

Systemtic Name: 2-chloranyl-N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-4-fluoranyl-benzamide Openeye Name: 2-chloro-N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-4-fluoro-benzamide CAS Name: 2-chloro-N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-4-fluorobenzamide IUPAC Name: 2-chloro-N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-4-fluorobenzamide Traditional Name: 2-chloro-N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-4-fluoro-benzamide Formula: C22H18ClFN2O3S MolecularWeight: 444.906323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C4=C(C=C(C=C4)F)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C4=C(C=C(C=C4)F)Cl

InChI

InChI=1S/C22H18ClFN2O3S/c23-21-13-17(24)5-10-20(21)22(27)25-18-6-8-19(9-7-18)30(28,29)26-12-11-15-3-1-2-4-16(15)14-26/h1-10,13H,11-12,14H2,(H,25,27)